Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 15/20 | 0.67 |
| ▸ | PTGS1 | P23219 | 11/20 | 0.67 |
| ▸ | PDPK1 | O15530 | 4/20 | 0.64 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.62 |
| ▸ | PTGES | O14684 | 1/20 | 0.61 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.61 |
| ▸ | CA12 | O43570 | 1/20 | 0.61 |
| ▸ | PDE5A | O76074 | 1/20 | 0.61 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.61 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.61 |
| ▸ | CA1 | P00915 | 1/20 | 0.61 |
| ▸ | CA2 | P00918 | 1/20 | 0.61 |
| ▸ | LMNA | P02545 | 1/20 | 0.61 |
| ▸ | CA3 | P07451 | 1/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.61 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.61 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.61 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.61 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.61 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.61 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL24736273 | 0.84 | PTGS2 (0.67) | PTGS2PTGS1PDPK1CYP2C9PTGES | |
| SCHEMBL7652652 | 0.84 | PTGS2 (0.65) | PTGS2PTGS1PDPK1CYP2C9PTGES | |
| SCHEMBL6389296 | 0.82 | PTGS2 (0.61) | PTGS2PTGS1 | |
| SCHEMBL24736248 | 0.82 | PTGS2 (0.68) | PTGS2PTGS1PDPK1CYP2C9PTGES | |
| SCHEMBL6013946 | 0.81 | PTGS2 (0.80) | PTGS2PTGS1PDPK1CYP2C9PTGES | |
| SCHEMBL6342351 | 0.81 | PTGS2 (0.90) | PTGS2PTGS1PDPK1CYP2C9PTGES | |
| SCHEMBL3106823 | 0.81 | PTGS2 (0.46) | PTGS2PTGS1CYP2C9 | |
| SCHEMBL213784 | 0.81 | PTGS2 (1.00) | PTGS2PTGS1PDPK1CYP2C9PTGES | |
| SCHEMBL6013969 | 0.80 | PTGS2 (0.74) | PTGS2PTGS1PDPK1CYP2C9PTGES | |
| SCHEMBL538151 | 0.80 | PTGS2 (0.51) | PTGS2PTGS1PDPK1CYP2C9HDAC3 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11912664-B2 | Determining small molecule-protein and protein-protein interactions | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2024-02-27 | — | — | US | disclosed |
| US-11912664-B2 | Determining small molecule-protein and protein-protein interactions | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2024-02-27 | — | — | US | disclosed |
| US-11912664-B2 | Determining small molecule-protein and protein-protein interactions | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2024-02-27 | — | — | US | disclosed |
| US-20200140388-A1 | DETERMINING SMALL MOLECULE-PROTEIN AND PROTEIN-PROTEIN INTERACTIONS | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2020-05-07 | — | — | US | disclosed |
| US-20070060629-A1 | Large conductance calcium-activated k channel opener | TANABE SEIYAKU CO., LTD. (JP) | 2007-03-15 | — | — | US | disclosed |
| US-20070060629-A1 | Large conductance calcium-activated k channel opener | TANABE SEIYAKU CO., LTD. (JP) | 2007-03-15 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20070060629-A1 | Large conductance calcium-activated k channel opener | KCNN3, KCNN1, KCNN2 | PTGS2 594/4885PTGS1 558/4885PDPK1 2652/4885 |
| US-20200140388-A1 | DETERMINING SMALL MOLECULE-PROTEIN AND PROTEIN-PROTEIN INTERACTIONS | MAX, IK, CRYAA | PTGS2 2854/4885PTGS1 2789/4885PDPK1 2541/4885 |
| US-11912664-B2 | Determining small molecule-protein and protein-protein interactions | MAX, IK, CRYAA | PTGS2 2854/4885PTGS1 2789/4885PDPK1 2541/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.